methyl 3-(aminocarbonylcarbamoyl)-5-(2-bromanylethanoylamino)benzoate

Systemtic Name: methyl 3-(aminocarbonylcarbamoyl)-5-(2-bromanylethanoylamino)benzoate Openeye Name: methyl 3-allophanoyl-5-[(2-bromoacetyl)amino]benzoate CAS Name: 3-[(2-bromo-1-oxoethyl)amino]-5-[(carbamoylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-bromoacetyl)amino]-5-(carbamoylcarbamoyl)benzoate Traditional Name: 3-allophanoyl-5-[(2-bromoacetyl)amino]benzoic acid methyl ester Formula: C12H12BrN3O5 MolecularWeight: 358.14478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC(=O)N)NC(=O)CBr

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC(=O)N)NC(=O)CBr

InChI

InChI=1S/C12H12BrN3O5/c1-21-11(19)7-2-6(10(18)16-12(14)20)3-8(4-7)15-9(17)5-13/h2-4H,5H2,1H3,(H,15,17)(H3,14,16,18,20)